Glycoside
GD023146
Name:
NoneFormula:
C16H24O7N7S2ISmiles:
CNc1nc(I)nc2c1ncn2C1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CCSC)[C@H](O)[C@H]1OAglycone:
CNc1nc(I)nc2c1N=C[N]2.COS(=O)(=O)NC(=O)C(N)CCSCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 617.45 | Num_heavy_atoms: | 33 |
| TPSA: | 203.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD04757
Formula: C6H5N5I
Smiles:
CNc1nc(I)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.05 | Num_heavy_atoms: | 12 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD08879
Formula: C6H14O4N2S2
Smiles:
COS(=O)(=O)NC(=O)C(N)CCSC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.32 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
